Synthesis, spectroscopic characterization, crystal structure, density functional theory studies and biological properties of coordination complex Ni(II) 2‐fluorobenzoate with 3‐hydroxypyridine
Yazarlar (8)
Doç. Dr. Mustafa SERTÇELİK
Kafkas Üniversitesi, Türkiye
Doç. Dr. Füreya Elif ÖZTÜRKKAN
Kafkas Üniversitesi, Türkiye
Parham Taslimi
Bartin Üniversitesi, Türkiye
Murat Durman
Ankara Üniversitesi, Türkiye
Mücahit Özdemir
Marmara Üniversitesi, Türkiye
Bahattin Yalçın
Marmara Üniversitesi, Türkiye
Prof. Dr. Hacali NECEFOĞLU
Kafkas Üniversitesi, Türkiye
Tuncer Hökelek
Hacettepe Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Applied Organometallic Chemistry (Q1) | ||
| Dergi ISSN | 0268-2605 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2020 |
| Cilt / Sayı / Sayfa | 34 / 9 / 1–10 | DOI | 10.1002/aoc.5802 |
| Makale Linki | https://onlinelibrary.wiley.com/doi/abs/10.1002/aoc.5802 | ||
| Özet |
| A novel Ni(II) complex containing 2-fluorobenzoate and 3-hydroxypyridine ligands was synthesized and characterized using elemental analysis, Fourier transform infrared (FT-IR) spectroscopy and single-crystal X-ray diffraction. FT-IR peaks show that the carboxylate group from 2-fluorobenzoate has a monodentate coordination mode. The coordination environment around the Ni2+ ion is of distorted octahedral geometry. The octahedral geometry consists of a total of four oxygen atoms from two carboxylate groups of two fluorobenzoate anions, two water molecules and two nitrogen atoms from two 3-hydroxypyridine ligands. The complex shows excellent inhibitory effects against some metabolic enzymes. Ki values for the complex were found as 108.17 ± 25.63, 124.88 ± 36.20, 28.11 ± 2.87, 20.95 ± 5.65 and 32.63 ± 9.67 μM against human carbonic anhydrase I, human carbonic anhydrase II, α-glycosidase, acetylcholinesterase and butyrylcholinesterase, respectively. In addition, geometry optimization and vibration frequencies were calculated, and single point energy was studied based on optimization. Experimental and theoretical data were compared. The B3LYP/6-31G(d,p) basis set was used for all calculations. |
| Anahtar Kelimeler |
| 2-fluorobenzoate | 3-hydroxypyridine | DFT calculation | metabolic enzyme inhibition | XRD |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 8 |
| Google Scholar | 8 |